- author = "Marek Szczerba and Jan Srodon and Michal Skiba and Arkadiusz Derkowski",
- title = "One-dimensional structure of exfoliated polymer-layered silicate nanocomposites: A polyvinylpyrrolidone (PVP) case study",
- journal = "Applied Clay Science",
- volume = "47",
- number = "3-4",
- pages = "235--241",
- year = "2010",
- ISSN = "0169-1317",
-
DOI = "
doi:10.1016/j.clay.2009.10.015",
-
URL = "
http://www.sciencedirect.com/science/article/B6V8Y-4XJP3TR-3/2/0314c6ad7c842ebe19f51e5fb9e67289",
- keywords = "genetic algorithms, genetic programming, java, Polyvinylpyrrolidone (PVP), Smectite, X-ray diffraction",
-
abstract = "Classical modelling of powdered lamellar structures by
X-ray diffraction (XRD) only applies to periodic or
quasi-periodic structures and another approach is
needed for non-periodic structures. XRD patterns of the
non-periodic structures contain a relatively small
amount of information and therefore certain initial
assumptions are necessary. In case of exfoliated
polymer-clay mineral nanocomposites it is possible to
assume the chemical composition and the structure of
the clay mineral layer while the actual structure of
the polymer remains unknown. This paper offers an
approach which can be used to provide an approximate
solution for the structure of the polymer. This new
approach is based on modeling of the LpG2 factors,
recorded from oriented samples in order to obtain the
one-dimensional structure of the polymer.
Although LpG2 factors for various smectites are quite different, in the case of polyvinylpyrrolidone (PVP) adsorbed on smectite it was found that the structure of the polymer was insignificantly affected by charge in the tetrahedral or octahedral positions of the smectite. The electron density distribution models of PVP directly adsorbed on the smectite layer suggest that PVP chains directly bound to the surface are more rigid and organised than the molecules occurring farther away. The approximate thickness and distribution of PVP layer adsorbed on the surface was calculated to be equal ca. 5-6 A.",
